678 citations · 2.3k across the 15 of their papers we have counts for
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The potential applications of phosphorene as anode materials in Li-ion batteries
Shijun Zhao, Wei Kang
The capacity and stability of constituent electrodes determine the performance of Li-ion batteries. In this study, density functional theory is employed to explore the potential ap…
Manipulation of electronic and magnetic properties of MC (M=Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains
Shijun Zhao, Wei Kang, Jianming Xue
Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. Rec…
Gas adsorption on MoS2 monolayer from first-principles calculations
Shijun Zhao, Jianming Xue, Wei Kang
First-principles calculations within density functional theory (DFT) have been carried out to investigate the adsorption of various gas molecules including CO, CO2, NH3, NO and NO2…
Electronic Structure and Quasiparticle Band Gap of Silicene Structures
Shouting Huang, Wei Kang, Li Yang
We report first-principles results on the electronic structure of various silicene structures. For planar and simply buckled silicenes, we confirm their zero-gap nature and show a…